N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide

C13H12N2O3 — CID 169466209

IUPACN-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C13H12N2O3/c1-8(16)14-6-2-3-9-4-5-10-11(7-9)13(18)15-12(10)17/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17,18)
InChIKeyROFGYSAFFHAZJR-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.72
Rot. Bonds3

About N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide

N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide (PubChem CID 169466209) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide
PubChem CID169466209
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C13H12N2O3/c1-8(16)14-6-2-3-9-4-5-10-11(7-9)13(18)15-12(10)17/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17,18)
InChIKeyROFGYSAFFHAZJR-UHFFFAOYSA-N
XLogP0.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]carbamate
CID 169472370
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
CID 169466156
N-[3-(3-oxo-2H-isoquinolin-6-yl)prop-2-enyl]acetamide
CID 169466218
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
ethyl 3-(1,3-dioxoisoindol-5-yl)prop-2-enoate
CID 169480926
N-[3-(4-oxo-1H-quinolin-7-yl)prop-2-enyl]acetamide
CID 169466219
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
5-(3-azidoprop-1-enyl)isoindole-1,3-dione
CID 169462453
methyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169465710
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide (CID 169466209) is N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide?
The InChIKey is ROFGYSAFFHAZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8(16)14-6-2-3-9-4-5-10-11(7-9)13(18)15-12(10)17/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17,18).
What are the key properties of N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide?
N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide has a molecular weight of 244.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).